Geometry & MOs

Info

ID:	351299
PubChem CID:	127280187
Reduced:	O3N5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-112.76
Dipole, Da:	3.14
IP(EA), eV:	-8.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-cyanophenyl)propanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)C(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations